SCHEMBL600580

SCHEMBL600580

Nc1ccccc1Nc1nc(Cl)ncc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
AURKA O14965 9/20 0.50
BCL6 P41182 1/20 0.48
AURKB Q96GD4 5/20 0.44
JAK2 O60674 3/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SYK P43405 3/20 0.42
MAPK8 P45983 2/20 0.42
PLK4 O00444 1/20 0.42
PDPK1 O15530 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CDK1 P06493 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15492039 0.84 AURKA (0.68) KMT2AAURKABCL6AURKBJAK2
SCHEMBL30833632 0.84 BCL6 (0.50) KMT2AMEN1GAABCL6ALDH1A1
SCHEMBL3340093 0.84 BCL6 (0.50) KMT2AMEN1GAABCL6ALDH1A1
SCHEMBL30833802 0.82 IGF1R (0.55) KMT2AMEN1GAAALDH1A1MAPK8
SCHEMBL3864935 0.82 AURKA (0.50) KMT2AAURKAAURKBJAK2ALDH1A1
SCHEMBL24260666 0.82 IGF1R (0.55) KMT2AMEN1GAAALDH1A1MAPK8
SCHEMBL30833794 0.82 GAA (0.42) KMT2AMEN1GAAAURKAALDH1A1
SCHEMBL22807434 0.82 EGFR (0.42) KMT2AMEN1GAAALDH1A1IGF1R
SCHEMBL22828247 0.82 GAA (0.42) KMT2AMEN1GAAAURKAALDH1A1
SCHEMBL29549370 0.82 EGFR (0.42) KMT2AMEN1GAAALDH1A1IGF1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014170421-A1 SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 WO disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172384-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172384-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120172384-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2012-07-05 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 US disclosed
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 US disclosed
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 US disclosed
WO-2011029807-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-03-17 WO disclosed
WO-2010146133-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-12-23 WO disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 WO disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 WO disclosed
WO-2009127642-A2 USE OF LRRK2 INHIBITORS FOR NEURODEGENERATIVE DISEASES CELLZOME LIMITED (GB) 2009-10-22 WO disclosed
WO-2009112490-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-09-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS ZAP70, LCK, DPY30 KMT2A 2423/4885MEN1 4303/4885GAA 2193/4885
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS JAK3, JAK2, JAK1 KMT2A 1056/4885MEN1 3289/4885GAA 3876/4885
US-20110098288-A1 SULFONAMIDES AS ZAP-70 INHIBITORS ZAP70, SYK, LCK KMT2A 280/4885MEN1 4489/4885GAA 2048/4885
US-20120172384-A1 HETEROCYCLYLAMINOPYRIMIDINES AS KINASE INHIBITORS ZAP70, JAK3, JAK2 KMT2A 807/4885MEN1 2286/4885GAA 2803/4885
US-20120172385-A1 ORTHO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 KMT2A 1909/4885MEN1 4276/4885GAA 3772/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.